HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=870",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=868",
"results": [
{
"id": "jvasp-69787",
"created_at": "2022-09-04T14:36:09.488428Z",
"updated_at": "2022-09-04T14:36:09.488443Z",
"structure_string": "Mn1 Be2 Tl1\n1.0\n2.997678 0.000000 -0.000000\n0.000000 2.997678 0.000000\n-0.000000 0.000000 6.047413\nMn Be Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.833717 Be\n0.000000 0.000000 0.166282 Be\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Tl"
],
"chemical_system": "Be-Mn-Tl",
"density": 8.474829272991922,
"density_atomic": 0.07360721750566256,
"volume": 54.34249704782391,
"volume_molar": 8.181454161797003,
"formula_full": "Mn1 Be2 Tl1",
"formula_reduced": "MnBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9178055103448275,
"spacegroup": 123
},
{
"id": "jvasp-15225",
"created_at": "2022-09-04T14:36:09.490202Z",
"updated_at": "2022-09-04T14:36:09.490218Z",
"structure_string": "Mg1 Cu1 Sb1\n1.0\n3.825084 0.000000 2.208414\n1.275028 3.606324 2.208414\n0.000000 0.000000 4.416826\nMg Cu Sb\n1 1 1\ndirect\n0.500000 0.499999 0.500000 Mg\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Sb"
],
"chemical_system": "Cu-Mg-Sb",
"density": 5.712775502993202,
"density_atomic": 0.049238548866033544,
"volume": 60.927871943632844,
"volume_molar": 12.23054070172706,
"formula_full": "Mg1 Cu1 Sb1",
"formula_reduced": "MgCuSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2585862638888891,
"spacegroup": 216
},
{
"id": "jvasp-70652",
"created_at": "2022-09-04T14:36:09.493589Z",
"updated_at": "2022-09-04T14:36:09.493619Z",
"structure_string": "Be2 Br1 Cl1\n1.0\n-1.663278 1.663278 6.513229\n1.663278 -1.663278 6.513229\n1.663278 1.663278 -6.513229\nBe Br Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Br\n0.750001 0.250000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Br",
"Cl"
],
"chemical_system": "Be-Br-Cl",
"density": 3.0729693330263848,
"density_atomic": 0.055497569753577974,
"volume": 72.07522811829281,
"volume_molar": 10.851179225936733,
"formula_full": "Be2 Br1 Cl1",
"formula_reduced": "Be2BrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0141100931250002,
"spacegroup": 119
},
{
"id": "jvasp-68611",
"created_at": "2022-09-04T14:36:09.494383Z",
"updated_at": "2022-09-04T14:36:09.494411Z",
"structure_string": "Zr1 Be2 W1\n1.0\n3.423441 0.000000 0.000000\n0.000000 3.423441 0.000000\n0.000000 0.000000 4.974999\nZr Be W\n1 2 1\ndirect\n0.500000 0.500000 0.782057 Zr\n0.000000 0.000000 0.971675 Be\n0.500000 0.500000 0.291428 Be\n0.000000 0.000000 0.454841 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"W"
],
"chemical_system": "Be-W-Zr",
"density": 8.346972472060619,
"density_atomic": 0.06860271418208234,
"volume": 58.306730975444694,
"volume_molar": 8.778283529739502,
"formula_full": "Zr1 Be2 W1",
"formula_reduced": "ZrBe2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.064456675000001,
"spacegroup": 99
},
{
"id": "jvasp-93186",
"created_at": "2022-09-04T14:36:09.496042Z",
"updated_at": "2022-09-04T14:36:09.496078Z",
"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.442406 0.282055 0.000000\n-2.976936 5.156204 0.000000\n0.000000 0.000000 5.032528\nHf Mg Ti\n1 6 1\ndirect\n0.150950 0.825474 0.250000 Hf\n0.651918 0.325455 0.250000 Mg\n0.651918 0.826460 0.250000 Mg\n0.335681 0.168668 0.750000 Mg\n0.335681 0.667013 0.750000 Mg\n0.865740 0.182869 0.750000 Mg\n0.847030 0.673515 0.750000 Mg\n0.161078 0.330538 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ti"
],
"chemical_system": "Hf-Mg-Ti",
"density": 3.605825539314141,
"density_atomic": 0.04667500791001693,
"volume": 171.39793560234446,
"volume_molar": 12.902281177134174,
"formula_full": "Hf1 Mg6 Ti1",
"formula_reduced": "HfMg6Ti",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6349419541666667,
"spacegroup": 38
},
{
"id": "jvasp-63945",
"created_at": "2022-09-04T14:36:09.497006Z",
"updated_at": "2022-09-04T14:36:09.497031Z",
"structure_string": "Ba4 Hf1 Ge1\n1.0\n-0.000000 4.931740 4.931740\n4.931740 -0.000000 4.931740\n4.931740 4.931740 -0.000000\nBa Hf Ge\n4 1 1\ndirect\n0.126541 0.624486 0.624486 Ba\n0.624486 0.624486 0.624486 Ba\n0.624486 0.126541 0.624486 Ba\n0.624486 0.624486 0.126541 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ge"
],
"chemical_system": "Ba-Ge-Hf",
"density": 5.540465846092999,
"density_atomic": 0.025010405712378673,
"volume": 239.900146722944,
"volume_molar": 24.078540865170357,
"formula_full": "Ba4 Hf1 Ge1",
"formula_reduced": "Ba4HfGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1135604716666665,
"spacegroup": 216
},
{
"id": "jvasp-68834",
"created_at": "2022-09-04T14:36:09.499978Z",
"updated_at": "2022-09-04T14:36:09.499995Z",
"structure_string": "Ca2 Be1 Bi1\n1.0\n-2.243683 2.243683 5.394149\n2.243683 -2.243683 5.394149\n2.243683 2.243683 -5.394149\nCa Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.749999 0.499999 Ca\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Ca",
"density": 4.558016793512708,
"density_atomic": 0.03682595911385307,
"volume": 108.61903114684372,
"volume_molar": 16.35297736952793,
"formula_full": "Ca2 Be1 Bi1",
"formula_reduced": "Ca2BeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4465978100000001,
"spacegroup": 119
},
{
"id": "jvasp-69134",
"created_at": "2022-09-04T14:36:09.502182Z",
"updated_at": "2022-09-04T14:36:09.502207Z",
"structure_string": "Ba1 Hf2 Br1\n1.0\n-2.135279 2.135279 7.319276\n2.135279 -2.135279 7.319276\n2.135279 2.135279 -7.319276\nBa Hf Br\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.750000 0.250000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Br"
],
"chemical_system": "Ba-Br-Hf",
"density": 7.143042467329188,
"density_atomic": 0.029965575168556243,
"volume": 133.4865083516674,
"volume_molar": 20.09686357136642,
"formula_full": "Ba1 Hf2 Br1",
"formula_reduced": "BaHf2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.72075151875,
"spacegroup": 139
},
{
"id": "jvasp-99567",
"created_at": "2022-09-04T14:36:09.505492Z",
"updated_at": "2022-09-04T14:36:09.505526Z",
"structure_string": "K2 Cu1 Mo1 I6\n1.0\n6.919739 -0.000000 3.995113\n2.306580 6.523992 3.995113\n-0.000000 -0.000000 7.990226\nK Cu Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Mo\n0.748982 0.748981 0.251018 I\n0.748982 0.251019 0.251018 I\n0.251019 0.251019 0.748982 I\n0.748982 0.251019 0.748981 I\n0.251019 0.748981 0.251018 I\n0.251019 0.748981 0.748981 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Mo",
"I"
],
"chemical_system": "Cu-I-K-Mo",
"density": 4.5993870073404475,
"density_atomic": 0.02772284538913788,
"volume": 360.7133344226676,
"volume_molar": 21.722664739022576,
"formula_full": "K2 Cu1 Mo1 I6",
"formula_reduced": "K2CuMoI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.154129,
"spacegroup": 225
},
{
"id": "jvasp-66154",
"created_at": "2022-09-04T14:36:09.506550Z",
"updated_at": "2022-09-04T14:36:09.506572Z",
"structure_string": "Ba4 Zn1 Os1\n1.0\n-0.000000 4.745922 4.745922\n4.745922 -0.000000 4.745922\n4.745922 4.745922 0.000000\nBa Zn Os\n4 1 1\ndirect\n0.127664 0.624112 0.624112 Ba\n0.624112 0.624112 0.624112 Ba\n0.624112 0.127664 0.624112 Ba\n0.624112 0.624112 0.127664 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Os"
],
"chemical_system": "Ba-Os-Zn",
"density": 6.2520810466551335,
"density_atomic": 0.028064639375434675,
"volume": 213.7921645717591,
"volume_molar": 21.45810847393697,
"formula_full": "Ba4 Zn1 Os1",
"formula_reduced": "Ba4ZnOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.81631488,
"spacegroup": 216
},
{
"id": "jvasp-69034",
"created_at": "2022-09-04T14:36:09.509764Z",
"updated_at": "2022-09-04T14:36:09.509783Z",
"structure_string": "Ba1 Zr2 Ir1\n1.0\n-2.150354 2.150354 5.100833\n2.150354 -2.150354 5.100833\n2.150354 2.150354 -5.100833\nBa Zr Ir\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Ba\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.749999 0.250000 0.499999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ir"
],
"chemical_system": "Ba-Ir-Zr",
"density": 9.011378964569948,
"density_atomic": 0.04239737541609797,
"volume": 94.34546267883435,
"volume_molar": 14.204041407981677,
"formula_full": "Ba1 Zr2 Ir1",
"formula_reduced": "BaZr2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3435540175,
"spacegroup": 139
},
{
"id": "jvasp-64035",
"created_at": "2022-09-04T14:36:09.516132Z",
"updated_at": "2022-09-04T14:36:09.516149Z",
"structure_string": "Ba4 Bi1 W1\n1.0\n0.000000 4.930523 4.930523\n4.930523 0.000000 4.930523\n4.930523 4.930523 0.000000\nBa Bi W\n4 1 1\ndirect\n0.125405 0.624864 0.624864 Ba\n0.624864 0.624864 0.624864 Ba\n0.624864 0.125405 0.624864 Ba\n0.624864 0.624864 0.125405 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"W"
],
"chemical_system": "Ba-Bi-W",
"density": 6.5260474963672594,
"density_atomic": 0.025028930224256528,
"volume": 239.72259086747394,
"volume_molar": 24.06071975926364,
"formula_full": "Ba4 Bi1 W1",
"formula_reduced": "Ba4BiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6051080299999998,
"spacegroup": 216
}
]
}